3-[[4-[2-(3-imidazol-1-ylpropylamino)pyridin-3-yl]pyrimidin-2-yl]amino]benzenesulfonamide

Systemtic Name: 3-[[4-[2-(3-imidazol-1-ylpropylamino)pyridin-3-yl]pyrimidin-2-yl]amino]benzenesulfonamide Openeye Name: 3-[[4-[2-(3-imidazol-1-ylpropylamino)-3-pyridyl]pyrimidin-2-yl]amino]benzenesulfonamide CAS Name: 3-[[4-[2-[3-(1-imidazolyl)propylamino]-3-pyridinyl]-2-pyrimidinyl]amino]benzenesulfonamide IUPAC Name: 3-[[4-[2-(3-imidazol-1-ylpropylamino)pyridin-3-yl]pyrimidin-2-yl]amino]benzenesulfonamide Traditional Name: 3-[[4-[2-(3-imidazol-1-ylpropylamino)-3-pyridyl]pyrimidin-2-yl]amino]benzenesulfonamide Formula: C21H22N8O2S MolecularWeight: 450.51678

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)S(=O)(=O)N)NC2=NC=CC(=N2)C3=C(N=CC=C3)NCCCN4C=CN=C4

Isomeric SMILES

C1=CC(=CC(=C1)S(=O)(=O)N)NC2=NC=CC(=N2)C3=C(N=CC=C3)NCCCN4C=CN=C4

InChI

InChI=1S/C21H22N8O2S/c22-32(30,31)17-5-1-4-16(14-17)27-21-26-10-7-19(28-21)18-6-2-8-24-20(18)25-9-3-12-29-13-11-23-15-29/h1-2,4-8,10-11,13-15H,3,9,12H2,(H,24,25)(H2,22,30,31)(H,26,27,28)